5-ethoxy-7-trifluoromethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile | 1189142-25-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 5-ethoxy-7-trifluoromethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
• 英文别名: 5-Ethoxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• CAS: 1189142-25-3
• 化学式: C₁₀H₇F₃N₄O
• 分子量: 256.187
• InChiKey: HJDUINTXZAALDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,1,1-三氟-4,4-二乙氧基-3-丁烯-2-酮 、 3-氨基-4-氰基吡唑 以 乙腈 为溶剂， 反应 2.0h， 以74%的产率得到5-ethoxy-7-trifluoromethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
  参考文献：
  名称：

  α-aminoazoles in the Synthesis of heterocycles: V. Synthesis of azolo[1,5-a]pyrimidines from 2-ethoxyvinyl trifluoromethyl ketones and 2,2-diethoxyvinyl trifluoromethyl ketone

  摘要：

  A procedure was proposed for the synthesis of 7-trifluoromethylazolo[1,5-a]pyrimidines by reactions of 2-ethoxyvinyl trifluoromethyl ketones and 2,2-diethoxyvinyl trifluoromethyl ketone with 5(3)-aminoazoles. The reactions occurred under mild conditions, and the products were formed with high yield and regioselectivity.

  DOI：

  10.1134/s1070428009030117

文献信息

• α-aminoazoles in the Synthesis of heterocycles: V. Synthesis of azolo[1,5-a]pyrimidines from 2-ethoxyvinyl trifluoromethyl ketones and 2,2-diethoxyvinyl trifluoromethyl ketone
  作者：E. E. Emelina、A. A. Petrov

  DOI：10.1134/s1070428009030117

  日期：2009.3

  A procedure was proposed for the synthesis of 7-trifluoromethylazolo[1,5-a]pyrimidines by reactions of 2-ethoxyvinyl trifluoromethyl ketones and 2,2-diethoxyvinyl trifluoromethyl ketone with 5(3)-aminoazoles. The reactions occurred under mild conditions, and the products were formed with high yield and regioselectivity.